2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine

Systemtic Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine Openeye Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-N1-propyl-benzene-1,4-diamine CAS Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-N1-propylbenzene-1,4-diamine IUPAC Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-1-N-propylbenzene-1,4-diamine Traditional Name: [4-amino-2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]phenyl]-propyl-amine Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

Isomeric SMILES

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

InChI

InChI=1S/C23H21N3O3/c1-2-9-25-19-7-6-17(24)12-18(19)23-26-20-10-14(5-8-21(20)28-23)15-3-4-16-13-27-29-22(16)11-15/h3-8,10-12,25H,2,9,13,24H2,1H3